CID 55299032

3-(hydroxymethyl)piperidin-3-ol hydrochloride

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

C1CC(CNC1)(CO)O

InChI

InChI=1S/C6H13NO2/c8-5-6(9)2-1-3-7-4-6/h7-9H,1-5H2

InChIKey

RNGTVNNILWIEBH-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)piperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 131.09464 Da
Monoisotopic Mass: -1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	132.10192	128.4
[M+Na]+	154.08386	137.5
[M+NH4]+	149.12846	137.3
[M+K]+	170.05780	131.1
[M-H]-	130.08736	127.9
[M+Na-2H]-	152.06931	133.5
[M]+	131.09409	129.3
[M]-	131.09519	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe